CID 97048159

Rac-(2r,3s)-2-(4-chlorophenyl)oxolan-3-amine

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1CO[C@H]([C@@H]1N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10-9(12)5-6-13-10/h1-4,9-10H,5-6,12H2/t9-,10+/m1/s1
InChIKey
XTUXGVWPTSFKFT-ZJUUUORDSA-N
Compound name
(2S,3R)-2-(4-chlorophenyl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 140.4
[M+Na]+ 220.04997 153.2
[M+NH4]+ 215.09457 150.2
[M+K]+ 236.02391 148.0
[M-H]- 196.05347 146.3
[M+Na-2H]- 218.03542 147.4
[M]+ 197.06020 144.1
[M]- 197.06130 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.